3-[[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-ium-1-yl]methyl]-N-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-[[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-ium-1-yl]methyl]-N-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-ium-1-yl]methyl]-N-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[[4-[2-(4-ethoxyphenyl)ethyl]-1-piperidin-1-iumyl]methyl]-N-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-ium-1-yl]methyl]-N-methyl-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-N-methyl-3-[[4-(2-p-phenetylethyl)piperidin-1-ium-1-yl]methyl]phthalazine-1-carboxamide Formula: C26H33N4O3+ MolecularWeight: 449.56522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CCC2CC[NH+](CC2)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)NC

Isomeric SMILES

CCOC1=CC=C(C=C1)CCC2CC[NH+](CC2)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)NC

InChI

InChI=1S/C26H32N4O3/c1-3-33-21-12-10-19(11-13-21)8-9-20-14-16-29(17-15-20)18-30-26(32)23-7-5-4-6-22(23)24(28-30)25(31)27-2/h4-7,10-13,20H,3,8-9,14-18H2,1-2H3,(H,27,31)/p+1